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Hydrocarbon and Polyethylene Glycol Ligands for Nanoparticle Assembly.

Record Type:	Language materials, manuscript : Monograph/item
Title/Author:	Hydrocarbon and Polyethylene Glycol Ligands for Nanoparticle Assembly./
Author:	Macias, Elizabeth.
Description:	1 online resource (157 pages)
Notes:	Source: Dissertations Abstracts International, Volume: 84-12, Section: B.
Contained By:	Dissertations Abstracts International84-12B.
Subject:	Physics. -
Online resource:	click for full text (PQDT)
ISBN:	9798379741136

Hydrocarbon and Polyethylene Glycol Ligands for Nanoparticle Assembly.
Macias, Elizabeth.

Hydrocarbon and Polyethylene Glycol Ligands for Nanoparticle Assembly. - 1 online resource (157 pages)

Source: Dissertations Abstracts International, Volume: 84-12, Section: B.

Thesis (Ph.D.)--Iowa State University, 2023.

Includes bibliographical references

I provide a computational study for two methods for the assembly of nanoparticles into ordered structures; small systems, a solvent-evaporation and salt-induced method. For solvent-evaporation we compute evaporation times for nanoparticle numbers ranging between 2 and 19. The lower range relaxation times is linearly dependent on nanoparticle number, in agreement with previous findings. At larger nanoparticle number the dependence is to the power of 2/3, in agreement with our predictions, as we show in detail. Equilibrium structures are shown to have interparticle distances in agreement with the Orbifold Topological model with a strong tendency towards icosahedral order. For salt-induced assembly, we look at the solubility of PEO in salty water since it is a fundamental aspect of salt-induced assembly that has not been thoroughly understood. We develop a model focusing on hydrogen bond networks and in turn phase diagrams for salted aqueous PEO. The role of electrostatic correlations such as Bjerrum pairing is thoroughly studied. We compare the model predictions with molecular dynamics simulations.

Electronic reproduction.
Ann Arbor, Mich. :
ProQuest,
2024

Mode of access: World Wide Web

ISBN: 9798379741136Subjects--Topical Terms:

564049
Physics.
Subjects--Index Terms:

Electrolyte solutionsIndex Terms--Genre/Form:

554714
Electronic books.

Hydrocarbon and Polyethylene Glycol Ligands for Nanoparticle Assembly.
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500 $a Source: Dissertations Abstracts International, Volume: 84-12, Section: B.
500 $a Advisor: Travesset, Alex.
502 $a Thesis (Ph.D.)--Iowa State University, 2023.
504 $a Includes bibliographical references
520 $a I provide a computational study for two methods for the assembly of nanoparticles into ordered structures; small systems, a solvent-evaporation and salt-induced method. For solvent-evaporation we compute evaporation times for nanoparticle numbers ranging between 2 and 19. The lower range relaxation times is linearly dependent on nanoparticle number, in agreement with previous findings. At larger nanoparticle number the dependence is to the power of 2/3, in agreement with our predictions, as we show in detail. Equilibrium structures are shown to have interparticle distances in agreement with the Orbifold Topological model with a strong tendency towards icosahedral order. For salt-induced assembly, we look at the solubility of PEO in salty water since it is a fundamental aspect of salt-induced assembly that has not been thoroughly understood. We develop a model focusing on hydrogen bond networks and in turn phase diagrams for salted aqueous PEO. The role of electrostatic correlations such as Bjerrum pairing is thoroughly studied. We compare the model predictions with molecular dynamics simulations.
533 $a Electronic reproduction. $b Ann Arbor, Mich. : $c ProQuest, $d 2024
538 $a Mode of access: World Wide Web
650 4 $a Physics. $3 564049
650 4 $a Condensed matter physics. $3 1148471
650 4 $a Physical chemistry. $3 1148725
650 4 $a Nanotechnology. $3 557660
653 $a Electrolyte solutions
653 $a Hydrocarbons
653 $a Molecular dynamics
653 $a Nanoparticles
653 $a Polyethylene glycol
653 $a Solvent evaporation
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